2,6-dichloro-1,3,5,7-tetraethyl-4,8-ethyliminocyclotetraphosph(III)azane | 86002-10-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,6-dichloro-1,3,5,7-tetraethyl-4,8-ethyliminocyclotetraphosph(III)azane
• 英文别名: 3,7-dichloro-2,4,6,8,9-pentaethyl-2,4,6,8,9-pentaza-1,3,5,7-tetraphosphabicyclo[3.3.1]nonane
• CAS: 86002-10-0
• 化学式: C₁₀H₂₅Cl₂N₅P₄
• 分子量: 410.143
• InChiKey: XJISTZUIFNXSQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.01
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  16.2
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2,6-dichloro-1,3,5,7-tetraethyl-4,8-ethyliminocyclotetraphosph(III)azane 以5%的产率得到
  参考文献：
  名称：

  HARVEY, D. A.;KEAT, R.;RYCROFT, D. S., J. CHEM. SOC. DALTON TRANS., 1983, N 3, 425-431

  摘要：

  DOI：
• 作为产物：
  描述：

  乙胺 、 三氯化磷 以45%的产率得到
  参考文献：
  名称：

  HARVEY, D. A.;KEAT, R.;RYCROFT, D. S., J. CHEM. SOC. DALTON TRANS., 1983, N 3, 425-431

  摘要：

  DOI：

文献信息

• Cyclotriphosphazanes and Bicyclic Tetraphosphapentazanes
  作者：N. Thirupathi、S. S. Krishnamurthy、M. Nethaji

  DOI：10.1080/10426509908546232

  日期：1999.1.1

  the reactions of trifluoroethoxy/aryloxy λ3-cyclotriphosphazanes and the bicyclic phosphazane, (EtN)5P4(OPh)2 (L) with tetrachloro-1,2-benzoquinone (TCB) to give λ5-cyclodiphosphazanes. The bicyclic phosphazane monoxide, (EtN)5P4(O)(OPh)2 (L′) undergoes oxidative addition with TCB with retention of the P4N5 ring. Treatment of bicyclic phosphazane L and its monoxide L′ with [Mo(CO)4(NBD)] (NBD = norbornadiene)

  在三氟乙氧基/芳氧基 λ3-环三磷氮烷和双环磷氮烷 (EtN)5P4(OPh)2 (L) 与四氯-1,2-苯醌 (TCB) 反应生成 λ5-环二磷氮烷时，会发生不寻常的环收缩-重排。双环磷氮烷 (EtN)5P4(O)(OPh)2 (L') 与 TCB 进行氧化加成，保留 P4N5 环。用 [Mo(CO)4(NBD)]（NBD = 降冰片二烯）处理双环磷氮烷 L 及其一氧化物 L' 得到螯合物 [Mo(CO)4(PP)]（PP = L 或 L'）。产物的结构已通过高场 31P NMR 和 X 射线晶体学研究阐明。
• Synthesis, spectral characterisation and single-crystal structure of a bicyclic tetraphosphapentazane tetraoxide, N5P4ET5O4(OC6H3Me2-2,6)2
  作者：Ramaswamy Murugavel、Setharampattu S. Krishnamurthy、Munirathinam Nethaji

  DOI：10.1039/dt9930002569

  日期：——

  Reaction of the bicyclic phosphazane N5P4Et5Cl2 with 2,6-dimethylphenol and subsequent oxidation of the product by aqueous hydrogen peroxide yields N5P4Et5O4(OC6H3Me2-2,6)2 in 85% yield. Its structure has been established by NMR spectroscopy and single-crystal X-ray diffraction. The compound crystallises in the monoclinic space group C2/c with a = 21.245(5), b = 10.879(2), c = 16.450(6) angstrom, beta = 123.94(2)degrees, Z = 4, R = 0.066. The structural features are compared with those of bicyclic lambda5-phosphazenes of type N5P4R3(NR1R2)5(NHR3) (R1,R3 = Me or Et, R2 = H or Me). The observed conformation of the N3P3 rings in the present compound is mainly dictated by the maximisation of the stabilising influence of 'negative hyperconjugative interactions' between the nitrogen lone pairs and the adjacent P-X sigma* orbitals.
• Harvey, David A.; Keat, Rodney; Rycroft, David S., Journal of the Chemical Society, Dalton Transactions, 1983, p. 425 - 432
  作者：Harvey, David A.、Keat, Rodney、Rycroft, David S.

  DOI：——

  日期：——